Impurity Segregation and Precipitation in Semiconductor Nanostructures
EMSL Project ID
30511
Abstract
The goal of this work is to apply advanced characterization and modeling techniques to gain a fundamental understanding of segregation and precipitation processes in semiconductors. These issues are critical to continued advancement of semiconductor technology and also have broad implications across a wide range of material systems. The proposed work involves a combination of theory and experiment. We will use DFT calculations and molecular dynamics simulations to explore energetics and kinetics of segregation and nucleation and growth/shrinkage of clusters and precipitates, with a particular focus on surface and interface interactions. We will combine these modeling efforts with use of advanced characterization tools at EMSL in order to generate data to compare to calculations. The two approaches will be combined to develop predictive models that can be used for designing more effective nanodevice structures and processes.
Project Details
Project type
Large-Scale EMSL Research
Start Date
2008-09-18
End Date
2011-09-30
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members
Related Publications
Ab Initio Calculations of Crystalline and Amorphous In2Se3 Compounds for Chalcogenide
Phase Change Memory
Chen R, H Wagner, A Dastgheib-Shirazi, M Kessler, Z Zhu, V Shutthanandan, PP Altermatt, and ST Dunham. 2012. "A Model for Phosphosilicate Glass Deposition via POCl3 for Control of Phosphorus Dose in Si." Journal of Applied Physics 112(12):Article No.124912. doi:10.1063/1.4771672
“Kinetic lattice Monte Carlo simulations of interdiffusion in strained silicon germanium alloys,” R. Chen and S.T. Dunham, J. Vac. Sci. Technol. B 28, C1G18 (2010).